ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine

C34H55N5 — CID 158071655

IUPACethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
SMILESCC.CC.CC.c1cc2c(cn1)CCCCC2.c1cc2c(cn1)CCCCN2.c1cc2c(cn1)CCCNC2
InChIInChI=1S/C10H13N.2C9H12N2.3C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-8-6-11-5-3-9(8)7-10-4-1;1-2-5-11-9-4-6-10-7-8(9)3-1;3*1-2/h6-8H,1-5H2;3,5-6,10H,1-2,4,7H2;4,6-7,11H,1-3,5H2;3*1-2H3
InChIKeyFLWUWQYQNMJIEM-UHFFFAOYSA-N
MW533.85 g/mol
LogP8.38
Rot. Bonds

About ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine

ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine (PubChem CID 158071655) has the molecular formula C34H55N5 and a molecular weight of 533.85 g/mol. Its IUPAC name is ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine.

Molecular Properties

Compound Nameethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
PubChem CID158071655
Molecular FormulaC34H55N5
Molecular Weight533.85 g/mol
Exact Mass533.45
IUPAC Nameethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
SMILESCC.CC.CC.c1cc2c(cn1)CCCCC2.c1cc2c(cn1)CCCCN2.c1cc2c(cn1)CCCNC2
InChIInChI=1S/C10H13N.2C9H12N2.3C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-8-6-11-5-3-9(8)7-10-4-1;1-2-5-11-9-4-6-10-7-8(9)3-1;3*1-2/h6-8H,1-5H2;3,5-6,10H,1-2,4,7H2;4,6-7,11H,1-3,5H2;3*1-2H3
InChIKeyFLWUWQYQNMJIEM-UHFFFAOYSA-N
XLogP8.38
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.85
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine with MolForge

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Related Compounds

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CID 67675496
ethane;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,2-benzodiazepine;2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;2,3,4,5-tetrahydro-1H-2,4-benzodiazepine;1,2,3,5-tetrahydro-4,1-benzoxazepine;1,2,4,5-tetrahydro-3,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,4-c]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine
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6-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
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2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
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1,2-dihydroisoquinoline;5,6,7,8-tetrahydroisoquinoline
CID 139513360
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CID 106778864

Frequently Asked Questions

What is the IUPAC name of ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
The IUPAC name of ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine (CID 158071655) is ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine.
What is the SMILES notation for ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
The canonical SMILES for ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine is CC.CC.CC.c1cc2c(cn1)CCCCC2.c1cc2c(cn1)CCCCN2.c1cc2c(cn1)CCCNC2.
What is the InChIKey of ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
The InChIKey is FLWUWQYQNMJIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.2C9H12N2.3C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-8-6-11-5-3-9(8)7-10-4-1;1-2-5-11-9-4-6-10-7-8(9)3-1;3*1-2/h6-8H,1-5H2;3,5-6,10H,1-2,4,7H2;4,6-7,11H,1-3,5H2;3*1-2H3.
What are the key properties of ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine?
ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine has a molecular weight of 533.85 g/mol, XLogP of 8.38, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepine is sourced from PubChem (CID 158071655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).